SCHEMBL1963113

SCHEMBL1963113

O=S(=O)(c1ccccc1)n1c(C(O)CC2CCOCC2)cc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1961542 0.91 RECQL (0.45) RECQLPTGDR2CYP2C19LMNAALDH1A1
SCHEMBL1958741 0.85 RECQL (0.35) RECQLLMNASMN1; SMN2NPSR1HTT
SCHEMBL1959937 0.84 RECQL (0.41) RECQLPTGDR2CYP2C19LMNAALDH1A1
SCHEMBL1963828 0.84 RECQL (0.39) RECQLPTGDR2CYP2C19LMNAALDH1A1
SCHEMBL1963794 0.83 RECQL (0.41) RECQLPTGDR2CYP2C19LMNAALDH1A1
SCHEMBL1959821 0.83 NPC1 (0.36) RECQLPTGDR2LMNAALDH1A1SMN1; SMN2
SCHEMBL2051447 0.81 HTT (0.33) RECQLLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL1963039 0.80 LMNA (0.43) RECQLPTGDR2CYP2C19LMNAALDH1A1
SCHEMBL27873111 0.79 RECQL (0.41) RECQLPTGDR2CYP2C19LMNAALDH1A1
SCHEMBL1960993 0.78 RECQL (0.48) RECQLPTGDR2CYP2C19LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 RECQL 3296/4885PTGDR2 1782/4885CYP2C19 792/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.